Rippling Ferroic Phase Transition and Domain Switching In 2D Materials

Ripples are a class of native structural defects widely existing in 2D materials. They originate from the out-of-plane flexibility of 2D materials introducing spatially evolving electronic structure and friction behavior. However, the effect of ripples on 2D ferroics has not been reported. Here a molecular dynamics study of the effect of ripples on the temperature-induced ferroic phase transition and stress-induced ferroic domain switching in ferroelastic-ferroelectric monolayer GeSe is presented. Ripples stabilize the short-range ferroic orders in the high-temperature phase with stronger ferroicity and longer lifetime, thereby increasing the transition temperature upon cooling. In addition, ripples significantly affect the domain switching upon loading, changing it from a highly correlated process into a ripple-driven localized one where ripples act as source of dynamical random stress. These results reveal the fundamental role of ripples on 2D ferroicity and provide theoretical guidance for ripple engineering of controlled phase transition and domain switching with potential applications in flexible 2D electronics.